5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide

C19H19BrN2O5 — CID 56559319

IUPAC5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCN1C(=O)CCC1=O)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C19H19BrN2O5/c20-13-3-1-4-14(11-13)26-12-15-5-6-16(27-15)19(25)21-9-2-10-22-17(23)7-8-18(22)24/h1,3-6,11H,2,7-10,12H2,(H,21,25)
InChIKeyJDGCJQZFZTXTAO-UHFFFAOYSA-N
MW435.27 g/mol
LogP2.89
Rot. Bonds8

About 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide

5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide (PubChem CID 56559319) has the molecular formula C19H19BrN2O5 and a molecular weight of 435.27 g/mol. Its IUPAC name is 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide
PubChem CID56559319
Molecular FormulaC19H19BrN2O5
Molecular Weight435.27 g/mol
Exact Mass434.05
IUPAC Name5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide
SMILESO=C(NCCCN1C(=O)CCC1=O)c1ccc(COc2cccc(Br)c2)o1
InChIInChI=1S/C19H19BrN2O5/c20-13-3-1-4-14(11-13)26-12-15-5-6-16(27-15)19(25)21-9-2-10-22-17(23)7-8-18(22)24/h1,3-6,11H,2,7-10,12H2,(H,21,25)
InChIKeyJDGCJQZFZTXTAO-UHFFFAOYSA-N
XLogP2.89
TPSA88.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

5-[(3-bromophenoxy)methyl]-N-(1-methylpyrazol-4-yl)furan-2-carboxamide
CID 60508098
5-[(3-bromophenoxy)methyl]-N-(2-pyrrolidin-3-ylethyl)furan-2-carboxamide;hydrochloride
CID 119537396
5-[(3-bromophenoxy)methyl]-N-[[3-(piperidine-1-carbonyl)phenyl]methyl]furan-2-carboxamide
CID 55777807
N-[2-(4-bromopyrazol-1-yl)ethyl]-5-[(3-methoxyphenoxy)methyl]furan-2-carboxamide
CID 19282730
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]-5-[(3-methylphenoxy)methyl]furan-2-carboxamide
CID 19467311
N-[3-(4-bromopyrazol-1-yl)propyl]-5-[(3,5-dimethylphenoxy)methyl]furan-2-carboxamide
CID 19297483
N-(3-imidazol-1-ylpropyl)-5-(phenoxymethyl)furan-2-carboxamide
CID 9463031
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 120658923
[5-[(3-bromophenoxy)methyl]furan-2-yl]-[4-(methylamino)piperidin-1-yl]methanone
CID 119563369
methyl 2-[4-[[5-[(3-bromophenoxy)methyl]furan-2-carbonyl]amino]phenoxy]acetate
CID 55779946
(4-benzylpiperazin-1-yl)-[5-[(3-bromophenoxy)methyl]furan-2-yl]methanone
CID 46488837
N-[3-(4-bromo-3,5-dimethylpyrazol-1-yl)propyl]-5-[(4-chloro-3-methylphenoxy)methyl]furan-2-carboxamide
CID 19417132

Frequently Asked Questions

What is the IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide?
The IUPAC name of 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide (CID 56559319) is 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide.
What is the SMILES notation for 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide?
The canonical SMILES for 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide is O=C(NCCCN1C(=O)CCC1=O)c1ccc(COc2cccc(Br)c2)o1.
What is the InChIKey of 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide?
The InChIKey is JDGCJQZFZTXTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrN2O5/c20-13-3-1-4-14(11-13)26-12-15-5-6-16(27-15)19(25)21-9-2-10-22-17(23)7-8-18(22)24/h1,3-6,11H,2,7-10,12H2,(H,21,25).
What are the key properties of 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide?
5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide has a molecular weight of 435.27 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-bromophenoxy)methyl]-N-[3-(2,5-dioxopyrrolidin-1-yl)propyl]furan-2-carboxamide is sourced from PubChem (CID 56559319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).